USER MOD reduce.3.24.130724 H: found=0, std=0, add=380, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 380 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 SER OG : rot 38:sc= 0.179 USER MOD Single : A 18 CYS SG : rot 180:sc= -1.69 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 158:sc= -0.0311 (180deg=-0.307) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -1.36 K(o=-1.4,f=-0.37) USER MOD Single : A 33 SER OG : rot 180:sc= 0.0672 USER MOD Single : A 39 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0311) USER MOD Single : A 40 LYS NZ :NH3+ 160:sc= 0.28 (180deg=-0.517) USER MOD Single : A 44 MET CE :methyl -164:sc= -0.681 (180deg=-1.3) USER MOD Single : A 46 ASN : amide:sc= -1.05 X(o=-1.1,f=-1.3) USER MOD Single : A 47 ASN : amide:sc= -0.639 X(o=-0.64,f=-0.49) USER MOD Single : A 48 THR OG1 : rot 26:sc= 0.566 USER MOD Single : A 53 LYS NZ :NH3+ 157:sc= 1.23 (180deg=0.436) USER MOD Single : A 54 GLN : amide:sc= -0.0117 K(o=-0.012,f=-1.7!) USER MOD Single : A 56 TYR OH : rot 85:sc= -1.32! USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -152:sc= -0.238 (180deg=-1.14!) USER MOD ----------------------------------------------------------------- ATOM 183 N SER A 12 6.168 7.413 4.751 1.00 0.00 N ATOM 184 CA SER A 12 6.443 6.025 5.236 1.00 0.00 C ATOM 185 C SER A 12 6.706 5.099 4.058 1.00 0.00 C ATOM 186 O SER A 12 6.364 5.412 2.936 1.00 0.00 O ATOM 187 CB SER A 12 5.206 5.514 5.994 1.00 0.00 C ATOM 188 OG SER A 12 5.076 6.406 7.091 1.00 0.00 O ATOM 0 HA SER A 12 7.318 6.039 5.886 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.318 5.528 5.362 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.342 4.486 6.330 1.00 0.00 H new ATOM 0 HG SER A 12 5.308 7.314 6.804 1.00 0.00 H new ATOM 194 N ALA A 13 7.301 3.973 4.330 1.00 0.00 N ATOM 195 CA ALA A 13 7.587 3.026 3.236 1.00 0.00 C ATOM 196 C ALA A 13 6.322 2.543 2.578 1.00 0.00 C ATOM 197 O ALA A 13 6.240 2.452 1.368 1.00 0.00 O ATOM 198 CB ALA A 13 8.307 1.801 3.820 1.00 0.00 C ATOM 0 H ALA A 13 7.598 3.674 5.259 1.00 0.00 H new ATOM 0 HA ALA A 13 8.199 3.541 2.495 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.525 1.092 3.021 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.239 2.116 4.289 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.669 1.324 4.564 1.00 0.00 H new ATOM 204 N PHE A 14 5.347 2.236 3.383 1.00 0.00 N ATOM 205 CA PHE A 14 4.065 1.747 2.820 1.00 0.00 C ATOM 206 C PHE A 14 3.197 2.898 2.285 1.00 0.00 C ATOM 207 O PHE A 14 2.180 2.671 1.672 1.00 0.00 O ATOM 208 CB PHE A 14 3.336 0.912 3.939 1.00 0.00 C ATOM 209 CG PHE A 14 1.902 1.380 4.220 1.00 0.00 C ATOM 210 CD1 PHE A 14 1.658 2.668 4.622 1.00 0.00 C ATOM 211 CD2 PHE A 14 0.839 0.494 4.094 1.00 0.00 C ATOM 212 CE1 PHE A 14 0.370 3.084 4.896 1.00 0.00 C ATOM 213 CE2 PHE A 14 -0.446 0.905 4.366 1.00 0.00 C ATOM 214 CZ PHE A 14 -0.683 2.201 4.767 1.00 0.00 C ATOM 0 H PHE A 14 5.383 2.302 4.400 1.00 0.00 H new ATOM 0 HA PHE A 14 4.255 1.109 1.957 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.315 -0.137 3.642 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.916 0.971 4.860 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.479 3.362 4.725 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.022 -0.523 3.781 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.187 4.101 5.211 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.268 0.212 4.265 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.691 2.526 4.980 1.00 0.00 H new ATOM 224 N PHE A 15 3.580 4.111 2.550 1.00 0.00 N ATOM 225 CA PHE A 15 2.749 5.218 2.028 1.00 0.00 C ATOM 226 C PHE A 15 2.935 5.239 0.543 1.00 0.00 C ATOM 227 O PHE A 15 2.017 5.484 -0.223 1.00 0.00 O ATOM 228 CB PHE A 15 3.225 6.558 2.601 1.00 0.00 C ATOM 229 CG PHE A 15 2.367 7.667 1.987 1.00 0.00 C ATOM 230 CD1 PHE A 15 1.007 7.710 2.227 1.00 0.00 C ATOM 231 CD2 PHE A 15 2.933 8.620 1.167 1.00 0.00 C ATOM 232 CE1 PHE A 15 0.229 8.688 1.654 1.00 0.00 C ATOM 233 CE2 PHE A 15 2.154 9.602 0.594 1.00 0.00 C ATOM 234 CZ PHE A 15 0.801 9.636 0.837 1.00 0.00 C ATOM 0 H PHE A 15 4.405 4.377 3.088 1.00 0.00 H new ATOM 0 HA PHE A 15 1.705 5.072 2.306 1.00 0.00 H new ATOM 0 HB2 PHE A 15 3.133 6.562 3.687 1.00 0.00 H new ATOM 0 HB3 PHE A 15 4.278 6.719 2.370 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.552 6.970 2.869 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.995 8.597 0.972 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.834 8.712 1.846 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.606 10.345 -0.046 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.189 10.404 0.388 1.00 0.00 H new ATOM 244 N LEU A 16 4.141 4.964 0.173 1.00 0.00 N ATOM 245 CA LEU A 16 4.494 4.938 -1.238 1.00 0.00 C ATOM 246 C LEU A 16 3.777 3.776 -1.896 1.00 0.00 C ATOM 247 O LEU A 16 3.585 3.742 -3.095 1.00 0.00 O ATOM 248 CB LEU A 16 6.013 4.704 -1.326 1.00 0.00 C ATOM 249 CG LEU A 16 6.751 5.702 -0.409 1.00 0.00 C ATOM 250 CD1 LEU A 16 8.248 5.361 -0.402 1.00 0.00 C ATOM 251 CD2 LEU A 16 6.541 7.138 -0.929 1.00 0.00 C ATOM 0 H LEU A 16 4.908 4.753 0.812 1.00 0.00 H new ATOM 0 HA LEU A 16 4.214 5.868 -1.732 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.250 3.682 -1.031 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.350 4.825 -2.356 1.00 0.00 H new ATOM 0 HG LEU A 16 6.357 5.633 0.605 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.778 6.061 0.244 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.388 4.346 -0.029 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.642 5.433 -1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.063 7.840 -0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.935 7.219 -1.942 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.476 7.371 -0.934 1.00 0.00 H new ATOM 263 N PHE A 17 3.383 2.842 -1.070 1.00 0.00 N ATOM 264 CA PHE A 17 2.669 1.644 -1.563 1.00 0.00 C ATOM 265 C PHE A 17 1.180 1.924 -1.626 1.00 0.00 C ATOM 266 O PHE A 17 0.502 1.522 -2.552 1.00 0.00 O ATOM 267 CB PHE A 17 2.959 0.541 -0.543 1.00 0.00 C ATOM 268 CG PHE A 17 2.122 -0.687 -0.782 1.00 0.00 C ATOM 269 CD1 PHE A 17 0.874 -0.801 -0.193 1.00 0.00 C ATOM 270 CD2 PHE A 17 2.630 -1.747 -1.494 1.00 0.00 C ATOM 271 CE1 PHE A 17 0.156 -1.962 -0.310 1.00 0.00 C ATOM 272 CE2 PHE A 17 1.908 -2.909 -1.613 1.00 0.00 C ATOM 273 CZ PHE A 17 0.670 -3.015 -1.014 1.00 0.00 C ATOM 0 H PHE A 17 3.532 2.866 -0.061 1.00 0.00 H new ATOM 0 HA PHE A 17 2.992 1.358 -2.564 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.015 0.274 -0.589 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.769 0.918 0.462 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.464 0.030 0.362 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.600 -1.666 -1.961 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.816 -2.045 0.154 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.309 -3.739 -2.175 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.106 -3.932 -1.101 1.00 0.00 H new ATOM 283 N CYS A 18 0.697 2.615 -0.631 1.00 0.00 N ATOM 284 CA CYS A 18 -0.738 2.946 -0.594 1.00 0.00 C ATOM 285 C CYS A 18 -1.168 3.666 -1.869 1.00 0.00 C ATOM 286 O CYS A 18 -2.316 3.614 -2.253 1.00 0.00 O ATOM 287 CB CYS A 18 -0.981 3.893 0.607 1.00 0.00 C ATOM 288 SG CYS A 18 -2.560 4.783 0.668 1.00 0.00 S ATOM 0 H CYS A 18 1.244 2.962 0.157 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.313 2.024 -0.503 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.890 3.306 1.521 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.179 4.631 0.621 1.00 0.00 H new ATOM 0 HG CYS A 18 -2.599 5.526 1.734 1.00 0.00 H new ATOM 294 N SER A 19 -0.238 4.325 -2.503 1.00 0.00 N ATOM 295 CA SER A 19 -0.581 5.050 -3.747 1.00 0.00 C ATOM 296 C SER A 19 -0.894 4.102 -4.915 1.00 0.00 C ATOM 297 O SER A 19 -1.849 4.311 -5.638 1.00 0.00 O ATOM 298 CB SER A 19 0.618 5.934 -4.134 1.00 0.00 C ATOM 299 OG SER A 19 0.088 6.840 -5.092 1.00 0.00 O ATOM 0 H SER A 19 0.737 4.390 -2.212 1.00 0.00 H new ATOM 0 HA SER A 19 -1.477 5.641 -3.557 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.021 6.460 -3.268 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.431 5.341 -4.553 1.00 0.00 H new ATOM 0 HG SER A 19 0.795 7.448 -5.394 1.00 0.00 H new ATOM 305 N GLU A 20 -0.088 3.079 -5.086 1.00 0.00 N ATOM 306 CA GLU A 20 -0.337 2.125 -6.203 1.00 0.00 C ATOM 307 C GLU A 20 -1.415 1.094 -5.856 1.00 0.00 C ATOM 308 O GLU A 20 -2.155 0.662 -6.716 1.00 0.00 O ATOM 309 CB GLU A 20 1.003 1.356 -6.549 1.00 0.00 C ATOM 310 CG GLU A 20 2.183 1.899 -5.739 1.00 0.00 C ATOM 311 CD GLU A 20 3.493 1.469 -6.423 1.00 0.00 C ATOM 312 OE1 GLU A 20 3.533 0.326 -6.846 1.00 0.00 O ATOM 313 OE2 GLU A 20 4.370 2.315 -6.494 1.00 0.00 O ATOM 0 H GLU A 20 0.723 2.869 -4.504 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.685 2.708 -7.055 1.00 0.00 H new ATOM 0 HB2 GLU A 20 0.878 0.293 -6.344 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.215 1.453 -7.614 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.129 2.986 -5.676 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.147 1.518 -4.718 1.00 0.00 H new ATOM 320 N TYR A 21 -1.473 0.708 -4.611 1.00 0.00 N ATOM 321 CA TYR A 21 -2.491 -0.294 -4.197 1.00 0.00 C ATOM 322 C TYR A 21 -3.788 0.344 -3.715 1.00 0.00 C ATOM 323 O TYR A 21 -4.589 -0.302 -3.077 1.00 0.00 O ATOM 324 CB TYR A 21 -1.878 -1.107 -3.051 1.00 0.00 C ATOM 325 CG TYR A 21 -0.902 -2.128 -3.615 1.00 0.00 C ATOM 326 CD1 TYR A 21 0.393 -1.764 -3.936 1.00 0.00 C ATOM 327 CD2 TYR A 21 -1.293 -3.436 -3.787 1.00 0.00 C ATOM 328 CE1 TYR A 21 1.281 -2.704 -4.417 1.00 0.00 C ATOM 329 CE2 TYR A 21 -0.407 -4.374 -4.270 1.00 0.00 C ATOM 330 CZ TYR A 21 0.886 -4.017 -4.589 1.00 0.00 C ATOM 331 OH TYR A 21 1.773 -4.957 -5.076 1.00 0.00 O ATOM 0 H TYR A 21 -0.861 1.042 -3.866 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.747 -0.911 -5.059 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.364 -0.444 -2.355 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.664 -1.612 -2.489 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.711 -0.740 -3.810 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.303 -3.730 -3.541 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.292 -2.412 -4.661 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -0.728 -5.397 -4.400 1.00 0.00 H new ATOM 0 HH TYR A 21 1.328 -5.828 -5.132 1.00 0.00 H new ATOM 341 N ARG A 22 -3.983 1.579 -4.037 1.00 0.00 N ATOM 342 CA ARG A 22 -5.236 2.257 -3.593 1.00 0.00 C ATOM 343 C ARG A 22 -6.443 1.873 -4.503 1.00 0.00 C ATOM 344 O ARG A 22 -7.501 1.539 -4.006 1.00 0.00 O ATOM 345 CB ARG A 22 -5.011 3.820 -3.603 1.00 0.00 C ATOM 346 CG ARG A 22 -5.147 4.396 -2.173 1.00 0.00 C ATOM 347 CD ARG A 22 -4.709 5.865 -2.187 1.00 0.00 C ATOM 348 NE ARG A 22 -4.631 6.369 -0.787 1.00 0.00 N ATOM 349 CZ ARG A 22 -5.732 6.655 -0.146 1.00 0.00 C ATOM 350 NH1 ARG A 22 -6.876 6.493 -0.752 1.00 0.00 N ATOM 351 NH2 ARG A 22 -5.651 7.094 1.080 1.00 0.00 N ATOM 0 H ARG A 22 -3.341 2.153 -4.584 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.473 1.927 -2.582 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.022 4.049 -4.001 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.738 4.294 -4.263 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.178 4.313 -1.830 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.532 3.826 -1.477 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.739 5.963 -2.675 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.417 6.462 -2.762 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.725 6.490 -0.333 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.900 6.148 -1.712 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.746 6.711 -0.266 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.739 7.208 1.521 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.500 7.323 1.597 1.00 0.00 H new ATOM 365 N PRO A 23 -6.261 1.932 -5.831 1.00 0.00 N ATOM 366 CA PRO A 23 -7.344 1.586 -6.760 1.00 0.00 C ATOM 367 C PRO A 23 -7.500 0.062 -6.898 1.00 0.00 C ATOM 368 O PRO A 23 -8.570 -0.430 -7.196 1.00 0.00 O ATOM 369 CB PRO A 23 -6.889 2.191 -8.124 1.00 0.00 C ATOM 370 CG PRO A 23 -5.365 2.520 -7.982 1.00 0.00 C ATOM 371 CD PRO A 23 -5.006 2.363 -6.478 1.00 0.00 C ATOM 0 HA PRO A 23 -8.306 1.967 -6.417 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -7.059 1.485 -8.937 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.459 3.090 -8.358 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.766 1.846 -8.594 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.155 3.533 -8.325 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -4.215 1.627 -6.335 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -4.647 3.302 -6.057 1.00 0.00 H new ATOM 379 N LYS A 24 -6.427 -0.648 -6.673 1.00 0.00 N ATOM 380 CA LYS A 24 -6.486 -2.115 -6.785 1.00 0.00 C ATOM 381 C LYS A 24 -7.594 -2.677 -5.918 1.00 0.00 C ATOM 382 O LYS A 24 -8.479 -3.359 -6.395 1.00 0.00 O ATOM 383 CB LYS A 24 -5.148 -2.681 -6.293 1.00 0.00 C ATOM 384 CG LYS A 24 -3.991 -2.091 -7.118 1.00 0.00 C ATOM 385 CD LYS A 24 -4.162 -2.457 -8.609 1.00 0.00 C ATOM 386 CE LYS A 24 -2.796 -2.409 -9.308 1.00 0.00 C ATOM 387 NZ LYS A 24 -1.957 -3.571 -8.894 1.00 0.00 N ATOM 0 H LYS A 24 -5.517 -0.266 -6.417 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.680 -2.389 -7.822 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.010 -2.445 -5.238 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.150 -3.768 -6.379 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.967 -1.007 -7.002 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.039 -2.473 -6.749 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.595 -3.453 -8.703 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.852 -1.763 -9.088 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.933 -2.419 -10.389 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.286 -1.478 -9.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.225 -3.744 -9.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.504 -3.364 -7.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.556 -4.416 -8.800 1.00 0.00 H new ATOM 401 N ILE A 25 -7.525 -2.381 -4.656 1.00 0.00 N ATOM 402 CA ILE A 25 -8.559 -2.884 -3.734 1.00 0.00 C ATOM 403 C ILE A 25 -9.876 -2.136 -3.952 1.00 0.00 C ATOM 404 O ILE A 25 -10.879 -2.735 -4.281 1.00 0.00 O ATOM 405 CB ILE A 25 -8.065 -2.679 -2.259 1.00 0.00 C ATOM 406 CG1 ILE A 25 -6.938 -1.627 -2.212 1.00 0.00 C ATOM 407 CG2 ILE A 25 -7.509 -4.031 -1.724 1.00 0.00 C ATOM 408 CD1 ILE A 25 -6.788 -1.083 -0.780 1.00 0.00 C ATOM 0 H ILE A 25 -6.795 -1.812 -4.227 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.731 -3.944 -3.924 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.900 -2.336 -1.648 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.999 -2.072 -2.541 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.162 -0.811 -2.899 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.162 -3.902 -0.699 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.297 -4.784 -1.748 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.678 -4.356 -2.350 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.990 -0.341 -0.755 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.724 -0.621 -0.466 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.543 -1.902 -0.103 1.00 0.00 H new ATOM 420 N LYS A 26 -9.846 -0.836 -3.775 1.00 0.00 N ATOM 421 CA LYS A 26 -11.085 -0.050 -3.970 1.00 0.00 C ATOM 422 C LYS A 26 -11.714 -0.427 -5.294 1.00 0.00 C ATOM 423 O LYS A 26 -12.918 -0.369 -5.458 1.00 0.00 O ATOM 424 CB LYS A 26 -10.718 1.457 -3.970 1.00 0.00 C ATOM 425 CG LYS A 26 -11.994 2.329 -4.103 1.00 0.00 C ATOM 426 CD LYS A 26 -12.673 2.476 -2.727 1.00 0.00 C ATOM 427 CE LYS A 26 -13.917 3.378 -2.857 1.00 0.00 C ATOM 428 NZ LYS A 26 -13.536 4.812 -2.721 1.00 0.00 N ATOM 0 H LYS A 26 -9.022 -0.298 -3.507 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.795 -0.256 -3.169 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.193 1.709 -3.049 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.037 1.671 -4.794 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.734 3.311 -4.497 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.685 1.873 -4.812 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.960 1.496 -2.346 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.974 2.905 -2.009 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -14.395 3.212 -3.823 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -14.646 3.115 -2.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -14.384 5.407 -2.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -13.100 4.969 -1.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.857 5.063 -3.467 1.00 0.00 H new ATOM 442 N GLY A 27 -10.886 -0.809 -6.216 1.00 0.00 N ATOM 443 CA GLY A 27 -11.412 -1.195 -7.534 1.00 0.00 C ATOM 444 C GLY A 27 -12.344 -2.377 -7.350 1.00 0.00 C ATOM 445 O GLY A 27 -13.497 -2.341 -7.733 1.00 0.00 O ATOM 0 H GLY A 27 -9.873 -0.869 -6.110 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.944 -0.360 -7.989 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.595 -1.457 -8.206 1.00 0.00 H new ATOM 449 N GLU A 28 -11.812 -3.408 -6.759 1.00 0.00 N ATOM 450 CA GLU A 28 -12.606 -4.614 -6.517 1.00 0.00 C ATOM 451 C GLU A 28 -13.463 -4.424 -5.258 1.00 0.00 C ATOM 452 O GLU A 28 -14.249 -5.278 -4.898 1.00 0.00 O ATOM 453 CB GLU A 28 -11.618 -5.790 -6.317 1.00 0.00 C ATOM 454 CG GLU A 28 -11.294 -6.420 -7.680 1.00 0.00 C ATOM 455 CD GLU A 28 -12.519 -7.184 -8.190 1.00 0.00 C ATOM 456 OE1 GLU A 28 -13.210 -7.726 -7.345 1.00 0.00 O ATOM 457 OE2 GLU A 28 -12.693 -7.180 -9.398 1.00 0.00 O ATOM 0 H GLU A 28 -10.846 -3.455 -6.434 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.272 -4.816 -7.356 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.704 -5.435 -5.841 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -12.053 -6.537 -5.653 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.012 -5.646 -8.393 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.443 -7.095 -7.588 1.00 0.00 H new ATOM 464 N HIS A 29 -13.276 -3.290 -4.608 1.00 0.00 N ATOM 465 CA HIS A 29 -14.052 -2.989 -3.369 1.00 0.00 C ATOM 466 C HIS A 29 -14.543 -1.532 -3.387 1.00 0.00 C ATOM 467 O HIS A 29 -14.112 -0.726 -2.585 1.00 0.00 O ATOM 468 CB HIS A 29 -13.104 -3.146 -2.176 1.00 0.00 C ATOM 469 CG HIS A 29 -12.738 -4.617 -1.985 1.00 0.00 C ATOM 470 ND1 HIS A 29 -13.100 -5.321 -1.023 1.00 0.00 N ATOM 471 CD2 HIS A 29 -11.960 -5.442 -2.772 1.00 0.00 C ATOM 472 CE1 HIS A 29 -12.643 -6.497 -1.105 1.00 0.00 C ATOM 473 NE2 HIS A 29 -11.897 -6.676 -2.197 1.00 0.00 N ATOM 0 H HIS A 29 -12.617 -2.564 -4.889 1.00 0.00 H new ATOM 0 HA HIS A 29 -14.908 -3.661 -3.303 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -12.201 -2.557 -2.339 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -13.577 -2.761 -1.273 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -11.478 -5.156 -3.695 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -12.835 -7.269 -0.374 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -11.410 -7.513 -2.516 1.00 0.00 H new ATOM 481 N PRO A 30 -15.446 -1.214 -4.306 1.00 0.00 N ATOM 482 CA PRO A 30 -15.969 0.143 -4.402 1.00 0.00 C ATOM 483 C PRO A 30 -16.759 0.523 -3.140 1.00 0.00 C ATOM 484 O PRO A 30 -17.973 0.448 -3.113 1.00 0.00 O ATOM 485 CB PRO A 30 -16.896 0.131 -5.667 1.00 0.00 C ATOM 486 CG PRO A 30 -16.950 -1.351 -6.181 1.00 0.00 C ATOM 487 CD PRO A 30 -15.994 -2.180 -5.280 1.00 0.00 C ATOM 0 HA PRO A 30 -15.172 0.881 -4.488 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -17.895 0.489 -5.417 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -16.504 0.793 -6.439 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -17.966 -1.741 -6.126 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -16.642 -1.408 -7.225 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -16.527 -2.987 -4.777 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.200 -2.641 -5.867 1.00 0.00 H new ATOM 495 N GLY A 31 -16.048 0.912 -2.108 1.00 0.00 N ATOM 496 CA GLY A 31 -16.755 1.297 -0.850 1.00 0.00 C ATOM 497 C GLY A 31 -15.824 1.258 0.374 1.00 0.00 C ATOM 498 O GLY A 31 -16.263 0.949 1.464 1.00 0.00 O ATOM 0 H GLY A 31 -15.030 0.978 -2.083 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -17.167 2.300 -0.959 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -17.596 0.623 -0.687 1.00 0.00 H new ATOM 502 N LEU A 32 -14.559 1.564 0.186 1.00 0.00 N ATOM 503 CA LEU A 32 -13.628 1.538 1.361 1.00 0.00 C ATOM 504 C LEU A 32 -13.602 2.873 2.081 1.00 0.00 C ATOM 505 O LEU A 32 -13.731 3.921 1.480 1.00 0.00 O ATOM 506 CB LEU A 32 -12.170 1.292 0.882 1.00 0.00 C ATOM 507 CG LEU A 32 -11.935 -0.133 0.308 1.00 0.00 C ATOM 508 CD1 LEU A 32 -10.432 -0.454 0.436 1.00 0.00 C ATOM 509 CD2 LEU A 32 -12.708 -1.195 1.095 1.00 0.00 C ATOM 0 H LEU A 32 -14.140 1.824 -0.707 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.985 0.748 2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.918 2.028 0.118 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.490 1.455 1.718 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.276 -0.149 -0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.238 -1.451 0.040 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.854 0.279 -0.127 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.140 -0.418 1.486 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.518 -2.178 0.663 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.382 -1.186 2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.775 -0.978 1.048 1.00 0.00 H new ATOM 521 N SER A 33 -13.432 2.797 3.376 1.00 0.00 N ATOM 522 CA SER A 33 -13.380 4.018 4.197 1.00 0.00 C ATOM 523 C SER A 33 -11.923 4.391 4.384 1.00 0.00 C ATOM 524 O SER A 33 -11.069 3.534 4.319 1.00 0.00 O ATOM 525 CB SER A 33 -14.001 3.715 5.572 1.00 0.00 C ATOM 526 OG SER A 33 -13.199 2.664 6.093 1.00 0.00 O ATOM 0 H SER A 33 -13.327 1.925 3.895 1.00 0.00 H new ATOM 0 HA SER A 33 -13.925 4.832 3.718 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.980 4.591 6.220 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.044 3.412 5.480 1.00 0.00 H new ATOM 0 HG SER A 33 -13.530 2.409 6.979 1.00 0.00 H new ATOM 532 N ILE A 34 -11.638 5.641 4.607 1.00 0.00 N ATOM 533 CA ILE A 34 -10.208 6.021 4.791 1.00 0.00 C ATOM 534 C ILE A 34 -9.516 5.057 5.737 1.00 0.00 C ATOM 535 O ILE A 34 -8.336 4.797 5.611 1.00 0.00 O ATOM 536 CB ILE A 34 -10.142 7.436 5.386 1.00 0.00 C ATOM 537 CG1 ILE A 34 -10.930 8.409 4.509 1.00 0.00 C ATOM 538 CG2 ILE A 34 -8.665 7.896 5.425 1.00 0.00 C ATOM 539 CD1 ILE A 34 -10.909 9.815 5.145 1.00 0.00 C ATOM 0 H ILE A 34 -12.314 6.402 4.669 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.706 5.987 3.824 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.567 7.422 6.390 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -10.497 8.445 3.509 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.958 8.064 4.399 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.608 8.900 5.846 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.086 7.210 6.043 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.259 7.903 4.413 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -11.471 10.507 4.518 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -11.362 9.773 6.136 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.879 10.160 5.232 1.00 0.00 H new ATOM 551 N GLY A 35 -10.257 4.545 6.666 1.00 0.00 N ATOM 552 CA GLY A 35 -9.654 3.596 7.625 1.00 0.00 C ATOM 553 C GLY A 35 -9.421 2.251 6.942 1.00 0.00 C ATOM 554 O GLY A 35 -8.374 1.664 7.074 1.00 0.00 O ATOM 0 H GLY A 35 -11.249 4.741 6.803 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.710 3.993 7.999 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.310 3.468 8.486 1.00 0.00 H new ATOM 558 N ASP A 36 -10.402 1.803 6.202 1.00 0.00 N ATOM 559 CA ASP A 36 -10.258 0.506 5.506 1.00 0.00 C ATOM 560 C ASP A 36 -9.173 0.563 4.455 1.00 0.00 C ATOM 561 O ASP A 36 -8.387 -0.351 4.317 1.00 0.00 O ATOM 562 CB ASP A 36 -11.599 0.184 4.818 1.00 0.00 C ATOM 563 CG ASP A 36 -11.750 -1.332 4.663 1.00 0.00 C ATOM 564 OD1 ASP A 36 -10.738 -1.994 4.812 1.00 0.00 O ATOM 565 OD2 ASP A 36 -12.871 -1.741 4.403 1.00 0.00 O ATOM 0 H ASP A 36 -11.290 2.282 6.055 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.987 -0.259 6.234 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -12.425 0.583 5.406 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.642 0.665 3.841 1.00 0.00 H new ATOM 570 N VAL A 37 -9.151 1.629 3.733 1.00 0.00 N ATOM 571 CA VAL A 37 -8.132 1.760 2.691 1.00 0.00 C ATOM 572 C VAL A 37 -6.761 1.594 3.297 1.00 0.00 C ATOM 573 O VAL A 37 -6.034 0.691 2.966 1.00 0.00 O ATOM 574 CB VAL A 37 -8.236 3.184 2.083 1.00 0.00 C ATOM 575 CG1 VAL A 37 -7.060 3.407 1.131 1.00 0.00 C ATOM 576 CG2 VAL A 37 -9.561 3.327 1.320 1.00 0.00 C ATOM 0 H VAL A 37 -9.796 2.414 3.821 1.00 0.00 H new ATOM 0 HA VAL A 37 -8.286 0.999 1.926 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.207 3.927 2.880 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.126 4.406 0.699 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.124 3.310 1.680 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -7.091 2.664 0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.630 4.328 0.895 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.601 2.589 0.519 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -10.394 3.165 2.004 1.00 0.00 H new ATOM 586 N ALA A 38 -6.455 2.456 4.191 1.00 0.00 N ATOM 587 CA ALA A 38 -5.147 2.394 4.847 1.00 0.00 C ATOM 588 C ALA A 38 -4.919 1.061 5.575 1.00 0.00 C ATOM 589 O ALA A 38 -3.808 0.567 5.610 1.00 0.00 O ATOM 590 CB ALA A 38 -5.087 3.547 5.829 1.00 0.00 C ATOM 0 H ALA A 38 -7.062 3.214 4.502 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.361 2.466 4.095 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.125 3.538 6.342 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.204 4.488 5.292 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.889 3.444 6.560 1.00 0.00 H new ATOM 596 N LYS A 39 -5.961 0.492 6.142 1.00 0.00 N ATOM 597 CA LYS A 39 -5.769 -0.801 6.852 1.00 0.00 C ATOM 598 C LYS A 39 -5.509 -1.915 5.845 1.00 0.00 C ATOM 599 O LYS A 39 -4.481 -2.560 5.881 1.00 0.00 O ATOM 600 CB LYS A 39 -7.056 -1.125 7.688 1.00 0.00 C ATOM 601 CG LYS A 39 -6.835 -0.723 9.167 1.00 0.00 C ATOM 602 CD LYS A 39 -6.708 0.811 9.280 1.00 0.00 C ATOM 603 CE LYS A 39 -5.995 1.173 10.591 1.00 0.00 C ATOM 604 NZ LYS A 39 -6.832 0.794 11.764 1.00 0.00 N ATOM 0 H LYS A 39 -6.912 0.862 6.141 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.910 -0.726 7.519 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.911 -0.587 7.279 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.286 -2.188 7.621 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.668 -1.074 9.777 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.934 -1.201 9.552 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.150 1.203 8.430 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.696 1.271 9.252 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.034 0.661 10.642 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.788 2.243 10.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.382 1.137 12.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.775 1.221 11.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.923 -0.241 11.805 1.00 0.00 H new ATOM 618 N LYS A 40 -6.447 -2.118 4.968 1.00 0.00 N ATOM 619 CA LYS A 40 -6.277 -3.185 3.947 1.00 0.00 C ATOM 620 C LYS A 40 -4.908 -3.061 3.313 1.00 0.00 C ATOM 621 O LYS A 40 -4.277 -4.035 2.974 1.00 0.00 O ATOM 622 CB LYS A 40 -7.364 -2.997 2.867 1.00 0.00 C ATOM 623 CG LYS A 40 -8.640 -3.736 3.309 1.00 0.00 C ATOM 624 CD LYS A 40 -9.778 -3.437 2.323 1.00 0.00 C ATOM 625 CE LYS A 40 -10.874 -4.499 2.476 1.00 0.00 C ATOM 626 NZ LYS A 40 -11.016 -4.902 3.904 1.00 0.00 N ATOM 0 H LYS A 40 -7.321 -1.594 4.913 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.369 -4.169 4.408 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.573 -1.937 2.723 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.016 -3.386 1.910 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.454 -4.809 3.351 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.924 -3.422 4.313 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.188 -2.445 2.513 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.398 -3.435 1.301 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.822 -4.107 2.107 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.631 -5.371 1.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.947 -5.342 4.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.269 -5.583 4.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.931 -4.062 4.512 1.00 0.00 H new ATOM 640 N LEU A 41 -4.495 -1.859 3.129 1.00 0.00 N ATOM 641 CA LEU A 41 -3.177 -1.651 2.526 1.00 0.00 C ATOM 642 C LEU A 41 -2.125 -2.101 3.485 1.00 0.00 C ATOM 643 O LEU A 41 -1.117 -2.662 3.104 1.00 0.00 O ATOM 644 CB LEU A 41 -2.984 -0.157 2.262 1.00 0.00 C ATOM 645 CG LEU A 41 -3.837 0.265 1.069 1.00 0.00 C ATOM 646 CD1 LEU A 41 -3.883 1.789 1.032 1.00 0.00 C ATOM 647 CD2 LEU A 41 -3.216 -0.278 -0.241 1.00 0.00 C ATOM 0 H LEU A 41 -5.011 -1.013 3.369 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.104 -2.214 1.596 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.265 0.418 3.144 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.933 0.055 2.064 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.845 -0.138 1.165 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.488 2.114 0.186 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.322 2.162 1.957 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.871 2.181 0.926 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.830 0.027 -1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.209 0.122 -0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.171 -1.366 -0.199 1.00 0.00 H new ATOM 659 N GLY A 42 -2.374 -1.842 4.725 1.00 0.00 N ATOM 660 CA GLY A 42 -1.411 -2.239 5.742 1.00 0.00 C ATOM 661 C GLY A 42 -1.297 -3.763 5.758 1.00 0.00 C ATOM 662 O GLY A 42 -0.281 -4.316 6.133 1.00 0.00 O ATOM 0 H GLY A 42 -3.209 -1.370 5.071 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.439 -1.792 5.534 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.726 -1.876 6.720 1.00 0.00 H new ATOM 666 N GLU A 43 -2.360 -4.412 5.341 1.00 0.00 N ATOM 667 CA GLU A 43 -2.358 -5.883 5.316 1.00 0.00 C ATOM 668 C GLU A 43 -1.522 -6.383 4.143 1.00 0.00 C ATOM 669 O GLU A 43 -0.518 -7.038 4.330 1.00 0.00 O ATOM 670 CB GLU A 43 -3.829 -6.360 5.150 1.00 0.00 C ATOM 671 CG GLU A 43 -4.475 -6.550 6.539 1.00 0.00 C ATOM 672 CD GLU A 43 -4.084 -7.920 7.113 1.00 0.00 C ATOM 673 OE1 GLU A 43 -2.890 -8.135 7.238 1.00 0.00 O ATOM 674 OE2 GLU A 43 -5.003 -8.671 7.397 1.00 0.00 O ATOM 0 H GLU A 43 -3.223 -3.973 5.020 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.930 -6.275 6.238 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.395 -5.630 4.572 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.857 -7.297 4.594 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.150 -5.757 7.213 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.559 -6.475 6.459 1.00 0.00 H new ATOM 681 N MET A 44 -1.951 -6.063 2.950 1.00 0.00 N ATOM 682 CA MET A 44 -1.186 -6.516 1.761 1.00 0.00 C ATOM 683 C MET A 44 0.272 -6.172 1.934 1.00 0.00 C ATOM 684 O MET A 44 1.139 -6.986 1.712 1.00 0.00 O ATOM 685 CB MET A 44 -1.741 -5.791 0.520 1.00 0.00 C ATOM 686 CG MET A 44 -3.042 -6.485 0.096 1.00 0.00 C ATOM 687 SD MET A 44 -4.019 -5.723 -1.219 1.00 0.00 S ATOM 688 CE MET A 44 -4.098 -4.073 -0.495 1.00 0.00 C ATOM 0 H MET A 44 -2.788 -5.514 2.753 1.00 0.00 H new ATOM 0 HA MET A 44 -1.284 -7.595 1.643 1.00 0.00 H new ATOM 0 HB2 MET A 44 -1.927 -4.741 0.746 1.00 0.00 H new ATOM 0 HB3 MET A 44 -1.014 -5.818 -0.292 1.00 0.00 H new ATOM 0 HG2 MET A 44 -2.793 -7.499 -0.217 1.00 0.00 H new ATOM 0 HG3 MET A 44 -3.677 -6.571 0.977 1.00 0.00 H new ATOM 0 HE1 MET A 44 -4.885 -3.498 -0.984 1.00 0.00 H new ATOM 0 HE2 MET A 44 -4.315 -4.153 0.570 1.00 0.00 H new ATOM 0 HE3 MET A 44 -3.142 -3.569 -0.633 1.00 0.00 H new ATOM 698 N TRP A 45 0.512 -4.968 2.332 1.00 0.00 N ATOM 699 CA TRP A 45 1.900 -4.534 2.535 1.00 0.00 C ATOM 700 C TRP A 45 2.583 -5.485 3.481 1.00 0.00 C ATOM 701 O TRP A 45 3.558 -6.119 3.146 1.00 0.00 O ATOM 702 CB TRP A 45 1.845 -3.153 3.176 1.00 0.00 C ATOM 703 CG TRP A 45 3.230 -2.714 3.630 1.00 0.00 C ATOM 704 CD1 TRP A 45 3.577 -2.596 4.895 1.00 0.00 C ATOM 705 CD2 TRP A 45 4.180 -2.289 2.836 1.00 0.00 C ATOM 706 NE1 TRP A 45 4.796 -2.060 4.844 1.00 0.00 N ATOM 707 CE2 TRP A 45 5.257 -1.827 3.568 1.00 0.00 C ATOM 708 CE3 TRP A 45 4.204 -2.203 1.460 1.00 0.00 C ATOM 709 CZ2 TRP A 45 6.340 -1.286 2.931 1.00 0.00 C ATOM 710 CZ3 TRP A 45 5.292 -1.662 0.826 1.00 0.00 C ATOM 711 CH2 TRP A 45 6.357 -1.199 1.563 1.00 0.00 C ATOM 0 H TRP A 45 -0.199 -4.263 2.526 1.00 0.00 H new ATOM 0 HA TRP A 45 2.446 -4.512 1.592 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.445 -2.432 2.463 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.166 -3.169 4.028 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.006 -2.870 5.770 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.340 -1.841 5.678 1.00 0.00 H new ATOM 0 HE3 TRP A 45 3.365 -2.562 0.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.181 -0.928 3.506 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.313 -1.599 -0.252 1.00 0.00 H new ATOM 0 HH2 TRP A 45 7.210 -0.765 1.062 1.00 0.00 H new ATOM 722 N ASN A 46 2.057 -5.558 4.654 1.00 0.00 N ATOM 723 CA ASN A 46 2.649 -6.466 5.660 1.00 0.00 C ATOM 724 C ASN A 46 2.888 -7.844 5.036 1.00 0.00 C ATOM 725 O ASN A 46 3.850 -8.518 5.349 1.00 0.00 O ATOM 726 CB ASN A 46 1.641 -6.609 6.829 1.00 0.00 C ATOM 727 CG ASN A 46 1.889 -5.505 7.862 1.00 0.00 C ATOM 728 OD1 ASN A 46 3.010 -5.229 8.235 1.00 0.00 O ATOM 729 ND2 ASN A 46 0.868 -4.854 8.348 1.00 0.00 N ATOM 0 H ASN A 46 1.242 -5.030 4.965 1.00 0.00 H new ATOM 0 HA ASN A 46 3.599 -6.065 6.014 1.00 0.00 H new ATOM 0 HB2 ASN A 46 0.620 -6.545 6.452 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.747 -7.588 7.296 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.014 -4.117 9.038 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -0.077 -5.082 8.038 1.00 0.00 H new ATOM 736 N ASN A 47 1.992 -8.229 4.159 1.00 0.00 N ATOM 737 CA ASN A 47 2.124 -9.546 3.492 1.00 0.00 C ATOM 738 C ASN A 47 2.992 -9.447 2.237 1.00 0.00 C ATOM 739 O ASN A 47 3.453 -10.445 1.719 1.00 0.00 O ATOM 740 CB ASN A 47 0.719 -10.015 3.077 1.00 0.00 C ATOM 741 CG ASN A 47 -0.110 -10.319 4.327 1.00 0.00 C ATOM 742 OD1 ASN A 47 0.139 -11.275 5.035 1.00 0.00 O ATOM 743 ND2 ASN A 47 -1.105 -9.531 4.634 1.00 0.00 N ATOM 0 H ASN A 47 1.177 -7.682 3.881 1.00 0.00 H new ATOM 0 HA ASN A 47 2.593 -10.246 4.183 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.229 -9.245 2.481 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.791 -10.904 2.451 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.668 -9.720 5.464 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.319 -8.727 4.044 1.00 0.00 H new ATOM 750 N THR A 48 3.197 -8.242 1.768 1.00 0.00 N ATOM 751 CA THR A 48 4.029 -8.065 0.550 1.00 0.00 C ATOM 752 C THR A 48 5.440 -8.584 0.785 1.00 0.00 C ATOM 753 O THR A 48 6.105 -8.187 1.720 1.00 0.00 O ATOM 754 CB THR A 48 4.093 -6.561 0.212 1.00 0.00 C ATOM 755 OG1 THR A 48 2.758 -6.184 -0.053 1.00 0.00 O ATOM 756 CG2 THR A 48 4.834 -6.306 -1.123 1.00 0.00 C ATOM 0 H THR A 48 2.826 -7.383 2.175 1.00 0.00 H new ATOM 0 HA THR A 48 3.584 -8.625 -0.272 1.00 0.00 H new ATOM 0 HB THR A 48 4.590 -6.030 1.024 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.148 -6.783 0.425 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.859 -5.236 -1.327 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.853 -6.685 -1.052 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.313 -6.817 -1.932 1.00 0.00 H new ATOM 764 N ALA A 49 5.871 -9.468 -0.071 1.00 0.00 N ATOM 765 CA ALA A 49 7.234 -10.031 0.076 1.00 0.00 C ATOM 766 C ALA A 49 8.256 -8.941 0.397 1.00 0.00 C ATOM 767 O ALA A 49 8.085 -7.798 0.026 1.00 0.00 O ATOM 768 CB ALA A 49 7.623 -10.691 -1.254 1.00 0.00 C ATOM 0 H ALA A 49 5.336 -9.822 -0.864 1.00 0.00 H new ATOM 0 HA ALA A 49 7.231 -10.750 0.895 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.624 -11.114 -1.171 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.913 -11.484 -1.488 1.00 0.00 H new ATOM 0 HB3 ALA A 49 7.609 -9.945 -2.048 1.00 0.00 H new ATOM 774 N ALA A 50 9.299 -9.316 1.088 1.00 0.00 N ATOM 775 CA ALA A 50 10.331 -8.320 1.437 1.00 0.00 C ATOM 776 C ALA A 50 10.975 -7.761 0.176 1.00 0.00 C ATOM 777 O ALA A 50 11.215 -6.575 0.070 1.00 0.00 O ATOM 778 CB ALA A 50 11.411 -9.011 2.286 1.00 0.00 C ATOM 0 H ALA A 50 9.473 -10.264 1.420 1.00 0.00 H new ATOM 0 HA ALA A 50 9.870 -7.502 1.991 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.182 -8.288 2.553 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.959 -9.411 3.194 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.858 -9.824 1.714 1.00 0.00 H new ATOM 784 N ASP A 51 11.247 -8.630 -0.762 1.00 0.00 N ATOM 785 CA ASP A 51 11.871 -8.172 -2.016 1.00 0.00 C ATOM 786 C ASP A 51 10.932 -7.248 -2.782 1.00 0.00 C ATOM 787 O ASP A 51 11.358 -6.489 -3.627 1.00 0.00 O ATOM 788 CB ASP A 51 12.181 -9.402 -2.886 1.00 0.00 C ATOM 789 CG ASP A 51 13.165 -9.002 -3.988 1.00 0.00 C ATOM 790 OD1 ASP A 51 14.265 -8.621 -3.620 1.00 0.00 O ATOM 791 OD2 ASP A 51 12.762 -9.099 -5.135 1.00 0.00 O ATOM 0 H ASP A 51 11.061 -9.631 -0.705 1.00 0.00 H new ATOM 0 HA ASP A 51 12.783 -7.624 -1.780 1.00 0.00 H new ATOM 0 HB2 ASP A 51 12.605 -10.198 -2.274 1.00 0.00 H new ATOM 0 HB3 ASP A 51 11.263 -9.793 -3.325 1.00 0.00 H new ATOM 796 N ASP A 52 9.661 -7.337 -2.479 1.00 0.00 N ATOM 797 CA ASP A 52 8.676 -6.468 -3.180 1.00 0.00 C ATOM 798 C ASP A 52 8.618 -5.095 -2.521 1.00 0.00 C ATOM 799 O ASP A 52 8.123 -4.146 -3.093 1.00 0.00 O ATOM 800 CB ASP A 52 7.290 -7.131 -3.088 1.00 0.00 C ATOM 801 CG ASP A 52 7.192 -8.255 -4.128 1.00 0.00 C ATOM 802 OD1 ASP A 52 8.208 -8.503 -4.758 1.00 0.00 O ATOM 803 OD2 ASP A 52 6.107 -8.801 -4.231 1.00 0.00 O ATOM 0 H ASP A 52 9.268 -7.969 -1.782 1.00 0.00 H new ATOM 0 HA ASP A 52 8.975 -6.345 -4.221 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.132 -7.532 -2.087 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.509 -6.391 -3.261 1.00 0.00 H new ATOM 808 N LYS A 53 9.127 -5.019 -1.318 1.00 0.00 N ATOM 809 CA LYS A 53 9.120 -3.719 -0.593 1.00 0.00 C ATOM 810 C LYS A 53 10.317 -2.872 -1.019 1.00 0.00 C ATOM 811 O LYS A 53 10.387 -1.692 -0.735 1.00 0.00 O ATOM 812 CB LYS A 53 9.239 -4.008 0.913 1.00 0.00 C ATOM 813 CG LYS A 53 7.928 -4.631 1.430 1.00 0.00 C ATOM 814 CD LYS A 53 7.860 -4.473 2.957 1.00 0.00 C ATOM 815 CE LYS A 53 6.607 -5.184 3.498 1.00 0.00 C ATOM 816 NZ LYS A 53 6.890 -6.626 3.737 1.00 0.00 N ATOM 0 H LYS A 53 9.545 -5.799 -0.811 1.00 0.00 H new ATOM 0 HA LYS A 53 8.200 -3.181 -0.819 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.072 -4.686 1.098 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.452 -3.086 1.454 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.072 -4.144 0.964 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.881 -5.686 1.159 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.755 -4.894 3.416 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.833 -3.416 3.222 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.285 -4.711 4.426 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.787 -5.081 2.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.217 -7.001 4.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.792 -7.152 2.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.859 -6.734 4.098 1.00 0.00 H new ATOM 830 N GLN A 54 11.236 -3.504 -1.694 1.00 0.00 N ATOM 831 CA GLN A 54 12.445 -2.792 -2.162 1.00 0.00 C ATOM 832 C GLN A 54 12.119 -1.606 -3.115 1.00 0.00 C ATOM 833 O GLN A 54 12.504 -0.509 -2.851 1.00 0.00 O ATOM 834 CB GLN A 54 13.363 -3.829 -2.891 1.00 0.00 C ATOM 835 CG GLN A 54 14.584 -4.163 -2.011 1.00 0.00 C ATOM 836 CD GLN A 54 15.575 -5.005 -2.815 1.00 0.00 C ATOM 837 OE1 GLN A 54 15.391 -5.247 -3.992 1.00 0.00 O ATOM 838 NE2 GLN A 54 16.641 -5.467 -2.220 1.00 0.00 N ATOM 0 H GLN A 54 11.196 -4.493 -1.941 1.00 0.00 H new ATOM 0 HA GLN A 54 12.945 -2.358 -1.296 1.00 0.00 H new ATOM 0 HB2 GLN A 54 12.800 -4.737 -3.106 1.00 0.00 H new ATOM 0 HB3 GLN A 54 13.694 -3.425 -3.848 1.00 0.00 H new ATOM 0 HG2 GLN A 54 15.063 -3.245 -1.670 1.00 0.00 H new ATOM 0 HG3 GLN A 54 14.267 -4.706 -1.121 1.00 0.00 H new ATOM 0 HE21 GLN A 54 16.801 -5.267 -1.233 1.00 0.00 H new ATOM 0 HE22 GLN A 54 17.314 -6.028 -2.742 1.00 0.00 H new ATOM 847 N PRO A 55 11.414 -1.849 -4.209 1.00 0.00 N ATOM 848 CA PRO A 55 11.086 -0.761 -5.133 1.00 0.00 C ATOM 849 C PRO A 55 10.676 0.499 -4.386 1.00 0.00 C ATOM 850 O PRO A 55 11.007 1.603 -4.776 1.00 0.00 O ATOM 851 CB PRO A 55 9.906 -1.317 -5.969 1.00 0.00 C ATOM 852 CG PRO A 55 9.911 -2.871 -5.770 1.00 0.00 C ATOM 853 CD PRO A 55 10.860 -3.163 -4.576 1.00 0.00 C ATOM 0 HA PRO A 55 11.938 -0.472 -5.748 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.960 -0.887 -5.639 1.00 0.00 H new ATOM 0 HB3 PRO A 55 10.022 -1.061 -7.022 1.00 0.00 H new ATOM 0 HG2 PRO A 55 8.906 -3.238 -5.564 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.257 -3.376 -6.672 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.321 -3.612 -3.742 1.00 0.00 H new ATOM 0 HD3 PRO A 55 11.649 -3.860 -4.858 1.00 0.00 H new ATOM 861 N TYR A 56 9.972 0.303 -3.332 1.00 0.00 N ATOM 862 CA TYR A 56 9.518 1.462 -2.527 1.00 0.00 C ATOM 863 C TYR A 56 10.648 2.043 -1.676 1.00 0.00 C ATOM 864 O TYR A 56 10.801 3.246 -1.597 1.00 0.00 O ATOM 865 CB TYR A 56 8.404 0.993 -1.613 1.00 0.00 C ATOM 866 CG TYR A 56 7.212 0.598 -2.467 1.00 0.00 C ATOM 867 CD1 TYR A 56 6.430 1.564 -3.039 1.00 0.00 C ATOM 868 CD2 TYR A 56 6.881 -0.723 -2.640 1.00 0.00 C ATOM 869 CE1 TYR A 56 5.318 1.222 -3.770 1.00 0.00 C ATOM 870 CE2 TYR A 56 5.769 -1.076 -3.371 1.00 0.00 C ATOM 871 CZ TYR A 56 4.976 -0.104 -3.944 1.00 0.00 C ATOM 872 OH TYR A 56 3.850 -0.451 -4.660 1.00 0.00 O ATOM 0 H TYR A 56 9.684 -0.611 -2.983 1.00 0.00 H new ATOM 0 HA TYR A 56 9.177 2.244 -3.205 1.00 0.00 H new ATOM 0 HB2 TYR A 56 8.738 0.146 -1.014 1.00 0.00 H new ATOM 0 HB3 TYR A 56 8.126 1.785 -0.918 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.689 2.605 -2.915 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.498 -1.492 -2.199 1.00 0.00 H new ATOM 0 HE1 TYR A 56 4.707 1.996 -4.211 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.517 -2.119 -3.496 1.00 0.00 H new ATOM 0 HH TYR A 56 4.065 -0.476 -5.616 1.00 0.00 H new ATOM 882 N GLU A 57 11.430 1.190 -1.049 1.00 0.00 N ATOM 883 CA GLU A 57 12.531 1.719 -0.219 1.00 0.00 C ATOM 884 C GLU A 57 13.558 2.337 -1.134 1.00 0.00 C ATOM 885 O GLU A 57 14.232 3.292 -0.798 1.00 0.00 O ATOM 886 CB GLU A 57 13.124 0.538 0.609 1.00 0.00 C ATOM 887 CG GLU A 57 14.253 -0.182 -0.144 1.00 0.00 C ATOM 888 CD GLU A 57 15.556 0.620 -0.022 1.00 0.00 C ATOM 889 OE1 GLU A 57 15.786 1.119 1.068 1.00 0.00 O ATOM 890 OE2 GLU A 57 16.246 0.686 -1.025 1.00 0.00 O ATOM 0 H GLU A 57 11.346 0.174 -1.082 1.00 0.00 H new ATOM 0 HA GLU A 57 12.188 2.486 0.475 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.504 0.916 1.558 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.333 -0.174 0.843 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.393 -1.183 0.263 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.985 -0.299 -1.194 1.00 0.00 H new ATOM 897 N LYS A 58 13.640 1.763 -2.277 1.00 0.00 N ATOM 898 CA LYS A 58 14.587 2.241 -3.286 1.00 0.00 C ATOM 899 C LYS A 58 14.144 3.612 -3.764 1.00 0.00 C ATOM 900 O LYS A 58 14.927 4.536 -3.833 1.00 0.00 O ATOM 901 CB LYS A 58 14.565 1.253 -4.478 1.00 0.00 C ATOM 902 CG LYS A 58 15.734 1.571 -5.441 1.00 0.00 C ATOM 903 CD LYS A 58 17.019 0.880 -4.952 1.00 0.00 C ATOM 904 CE LYS A 58 18.115 1.058 -6.004 1.00 0.00 C ATOM 905 NZ LYS A 58 19.412 0.533 -5.494 1.00 0.00 N ATOM 0 H LYS A 58 13.076 0.962 -2.562 1.00 0.00 H new ATOM 0 HA LYS A 58 15.592 2.306 -2.869 1.00 0.00 H new ATOM 0 HB2 LYS A 58 14.648 0.229 -4.115 1.00 0.00 H new ATOM 0 HB3 LYS A 58 13.615 1.327 -5.007 1.00 0.00 H new ATOM 0 HG2 LYS A 58 15.489 1.233 -6.448 1.00 0.00 H new ATOM 0 HG3 LYS A 58 15.889 2.649 -5.496 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.337 1.308 -4.001 1.00 0.00 H new ATOM 0 HD3 LYS A 58 16.833 -0.180 -4.778 1.00 0.00 H new ATOM 0 HE2 LYS A 58 17.838 0.535 -6.919 1.00 0.00 H new ATOM 0 HE3 LYS A 58 18.217 2.113 -6.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 20.147 0.660 -6.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 19.681 1.050 -4.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 19.315 -0.479 -5.274 1.00 0.00 H new ATOM 919 N LYS A 59 12.884 3.716 -4.096 1.00 0.00 N ATOM 920 CA LYS A 59 12.370 5.005 -4.563 1.00 0.00 C ATOM 921 C LYS A 59 12.569 6.029 -3.479 1.00 0.00 C ATOM 922 O LYS A 59 13.005 7.132 -3.718 1.00 0.00 O ATOM 923 CB LYS A 59 10.865 4.860 -4.837 1.00 0.00 C ATOM 924 CG LYS A 59 10.402 6.054 -5.681 1.00 0.00 C ATOM 925 CD LYS A 59 8.871 6.110 -5.702 1.00 0.00 C ATOM 926 CE LYS A 59 8.424 7.454 -6.285 1.00 0.00 C ATOM 927 NZ LYS A 59 8.995 8.580 -5.493 1.00 0.00 N ATOM 0 H LYS A 59 12.202 2.958 -4.059 1.00 0.00 H new ATOM 0 HA LYS A 59 12.892 5.314 -5.469 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.665 3.926 -5.362 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.312 4.823 -3.899 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.804 6.980 -5.269 1.00 0.00 H new ATOM 0 HG3 LYS A 59 10.786 5.964 -6.697 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.473 5.290 -6.300 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.477 5.989 -4.693 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.745 7.532 -7.324 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.336 7.515 -6.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.365 9.405 -5.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.088 8.292 -4.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.932 8.830 -5.870 1.00 0.00 H new ATOM 941 N ALA A 60 12.224 5.641 -2.297 1.00 0.00 N ATOM 942 CA ALA A 60 12.380 6.559 -1.168 1.00 0.00 C ATOM 943 C ALA A 60 13.824 7.040 -1.080 1.00 0.00 C ATOM 944 O ALA A 60 14.079 8.194 -0.841 1.00 0.00 O ATOM 945 CB ALA A 60 12.022 5.805 0.126 1.00 0.00 C ATOM 0 H ALA A 60 11.840 4.724 -2.068 1.00 0.00 H new ATOM 0 HA ALA A 60 11.726 7.421 -1.304 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.133 6.474 0.979 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.991 5.455 0.070 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.689 4.951 0.246 1.00 0.00 H new